0 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 4.36056 7.96195 10.0655 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.90986 14.3129 9.12845 14.6525 6.38243 5.30734 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.78839 9.84195 6.24711 11.0338 9.58596 14.0576 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.69574 5.68664 5.94756 5.9084 7.72462 6.18811 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.44737 4.88949 7.51139 11.0853 8.72458 9.14315 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 9.44737 13.7888 7.80898 11.0853 8.72458 5.31226 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.43496 9.56471 7.06939 12.2875 6.9223 6.08245 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.43496 9.56471 7.06939 4.98638 7.0561 6.86728 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.33961 11.1668 9.64383 3.92844 6.83746 8.76845 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 5.33961 11.1668 9.64383 8.99706 9.14707 11.7715 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 5.33961 12.7318 7.54889 3.92844 6.83746 13.9572 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 5.33961 12.7318 7.54889 8.99706 9.14707 13.1975 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 5.33961 12.3835 7.78931 3.92844 6.83746 14.5341 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 5.33961 12.3835 7.78931 8.99706 9.14707 15.9953 numMergedOcc 0
14 mol 98 unq 6 iso 0 dist 8.3505 4.75138 5.10496 8.89866 8.75597 7.32662 numMergedOcc 0
15 mol 98 unq 7 iso 0 dist 8.3505 4.75138 5.10496 15.0551 9.18457 12.3881 numMergedOcc 0
16 mol 98 unq 8 iso 0 dist 8.3505 10.4417 5.92242 8.89866 8.75597 13.4985 numMergedOcc 0
17 mol 98 unq 9 iso 0 dist 8.3505 10.4417 5.92242 15.0551 9.18457 7.89505 numMergedOcc 0
18 mol 98 unq 10 iso 0 dist 8.3505 11.3628 5.2571 8.89866 8.75597 6.934 numMergedOcc 0
19 mol 98 unq 11 iso 0 dist 8.3505 11.3628 5.2571 15.0551 9.18457 13.1975 numMergedOcc 0
20 mol 98 unq 12 iso 0 dist 8.3505 13.9599 8.7497 8.89866 8.75597 7.17433 numMergedOcc 0
21 mol 98 unq 13 iso 0 dist 8.3505 13.9599 8.7497 15.0551 9.18457 15.9953 numMergedOcc 0
22 mol 98 unq 14 iso 0 dist 9.29816 5.70962 9.64383 5.29931 6.83746 8.76845 numMergedOcc 0
23 mol 98 unq 15 iso 0 dist 9.29816 5.70962 9.64383 7.18776 9.14707 11.7715 numMergedOcc 0
24 mol 98 unq 16 iso 0 dist 9.29816 14.676 7.54889 5.29931 6.83746 13.9572 numMergedOcc 0
25 mol 98 unq 17 iso 0 dist 9.29816 14.676 7.54889 7.18776 9.14707 13.1975 numMergedOcc 0
26 mol 98 unq 18 iso 0 dist 9.29816 16.3389 7.78931 5.29931 6.83746 14.5341 numMergedOcc 0
27 mol 98 unq 19 iso 0 dist 9.29816 16.3389 7.78931 7.18776 9.14707 15.9953 numMergedOcc 0
28 mol 98 unq 20 iso 0 dist 5.08983 10.1978 9.64383 10.8121 6.83746 8.76845 numMergedOcc 0
29 mol 98 unq 21 iso 0 dist 5.08983 10.1978 9.64383 13.8773 9.14707 11.7715 numMergedOcc 0
30 mol 98 unq 22 iso 0 dist 5.08983 7.1452 7.54889 10.8121 6.83746 13.9572 numMergedOcc 0
31 mol 98 unq 23 iso 0 dist 5.08983 7.1452 7.54889 13.8773 9.14707 13.1975 numMergedOcc 0
32 mol 98 unq 24 iso 0 dist 5.08983 4.96747 7.78931 10.8121 6.83746 14.5341 numMergedOcc 0
33 mol 98 unq 25 iso 0 dist 5.08983 4.96747 7.78931 13.8773 9.14707 15.9953 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 6.31773 5.28901 6.04595 4.92962 8.4965 5.61704 numMergedOcc 0
35 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 4.02705 5.11043 9.4027 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 8.78303 6.36794 8.69531 4.02705 5.11043 5.12325 numMergedOcc 0
37 mol 154 unq 0 iso 0 dist 5.06116 5.5065 8.33439 7.86748 9.82982 6.55507 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 6.52441 11.7795 7.2793 9.07895 8.31881 6.87725 numMergedOcc 0
39 mol 188 unq 0 iso 0 dist 7.6482 6.04074 7.88013 6.40978 7.79115 5.48276 numMergedOcc 0
40 mol 213 unq 0 iso 0 dist 9.45658 7.05959 7.94911 6.95219 9.62911 12.2697 numMergedOcc 0
41 mol 225 unq 0 iso 0 dist 7.25438 9.20928 8.14831 4.61903 8.69811 6.18042 numMergedOcc 0
42 mol 225 unq 1 iso 0 dist 7.25438 9.20928 8.14831 9.67929 4.98402 4.76151 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 7.13727 6.45589 9.12776 12.1653 6.53286 11.0349 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 7.13727 12.521 9.72188 12.1653 6.53286 10.7551 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 8.56975 9.23693 9.12776 12.2456 6.53286 11.0349 numMergedOcc 0
46 mol 238 unq 3 iso 0 dist 8.56975 9.18011 9.72188 12.2456 6.53286 10.7551 numMergedOcc 0
47 mol 239 unq 0 iso 0 dist 7.63381 9.86326 6.73665 9.43815 8.88763 13.1624 numMergedOcc 0
48 mol 239 unq 1 iso 0 dist 7.63381 9.86326 6.73665 9.79222 6.43209 7.34872 numMergedOcc 0
49 mol 239 unq 2 iso 0 dist 7.63381 9.86326 6.73665 15.2256 8.48769 8.9361 numMergedOcc 0
50 mol 239 unq 3 iso 0 dist 7.63381 5.82779 9.34438 9.43815 8.88763 5.75834 numMergedOcc 0
51 mol 239 unq 4 iso 0 dist 7.63381 5.82779 9.34438 9.79222 6.43209 7.5231 numMergedOcc 0
52 mol 239 unq 5 iso 0 dist 7.63381 5.82779 9.34438 15.2256 8.48769 14.4518 numMergedOcc 0
53 mol 239 unq 6 iso 0 dist 7.63381 13.5224 9.35949 9.43815 8.88763 10.7034 numMergedOcc 0
54 mol 239 unq 7 iso 0 dist 7.63381 13.5224 9.35949 9.79222 6.43209 4.15997 numMergedOcc 0
55 mol 239 unq 8 iso 0 dist 7.63381 13.5224 9.35949 15.2256 8.48769 5.66218 numMergedOcc 0
56 mol 264 unq 0 iso 0 dist 9.13546 11.5671 9.19754 5.7394 6.02757 6.84156 numMergedOcc 0
57 mol 264 unq 1 iso 0 dist 9.13546 13.8765 8.29262 5.7394 6.02757 9.37297 numMergedOcc 0
58 mol 264 unq 2 iso 0 dist 7.19658 5.21164 9.19754 6.63115 6.02757 6.84156 numMergedOcc 0
59 mol 264 unq 3 iso 0 dist 7.19658 6.12009 8.29262 6.63115 6.02757 9.37297 numMergedOcc 0
60 mol 273 unq 0 iso 0 dist 8.89714 8.50795 6.31969 5.62645 5.4307 5.9476 numMergedOcc 0
61 mol 279 unq 0 iso 0 dist 7.59142 11.6042 6.35028 6.06247 5.81528 6.15987 numMergedOcc 0
